2-Thiocytosine

2-Thiocytosine is a potential antileukemic and anticancer agent. 2-Thiocytosine in solid state has been investigated by (1)H-(14)N NMR-NQR double resonance (NQDR) spectroscopy and theoretically by the quantum theory of atoms in molecules (QTAIM)/density functional theory (DFT).

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Catalog Number	CBB1119784
Alternative Name(s)	4-Amino-2-thiopyrimidine; 4-Amino-2-mercaptopyrimidine
Molecular Formula	C4H5N3S
CAS#	333-49-3
Purity	>97%
Inchi	1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
Inchi Key	DCPSTSVLRXOYGS-UHFFFAOYSA-N
SMILES	NC1=NC(=S)NC=C1
Size	Inquiry
Supplier Page	https://www.amerigoscientific.com/2-thiocytosine-item-119784.html